2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid

C15H20O4 — CID 117415323

IUPAC2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
SMILESCOc1ccc(C2CCOCC2)cc1C(C)C(=O)O
InChIInChI=1S/C15H20O4/c1-10(15(16)17)13-9-12(3-4-14(13)18-2)11-5-7-19-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,16,17)
InChIKeyCSHMWFSWLXRDOC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid

2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid (PubChem CID 117415323) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
PubChem CID117415323
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
SMILESCOc1ccc(C2CCOCC2)cc1C(C)C(=O)O
InChIInChI=1S/C15H20O4/c1-10(15(16)17)13-9-12(3-4-14(13)18-2)11-5-7-19-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,16,17)
InChIKeyCSHMWFSWLXRDOC-UHFFFAOYSA-N
XLogP2.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
4-amino-4-[2-methoxy-5-(thian-4-yl)phenyl]butanoic acid
CID 117494216
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid?
The IUPAC name of 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid (CID 117415323) is 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid is COc1ccc(C2CCOCC2)cc1C(C)C(=O)O.
What is the InChIKey of 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid?
The InChIKey is CSHMWFSWLXRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(15(16)17)13-9-12(3-4-14(13)18-2)11-5-7-19-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid?
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid is sourced from PubChem (CID 117415323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).